Affinity Data by PDB ID

PDB code 2XY9

Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE C-terminal domain				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of human ACE C-terminal domain expressed in CHO cells after 90 mins by fluorescence assay				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
Wroclaw University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE in presence of buffer				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE in presence of 1:50 diluted SHR rat plasma				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma complemented with 5 uM serum albumin				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (584/584 = 100%)^† (Homo sapiens (Human))	BDBM50303320 ((S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of human ACE N-terminal domain expressed in CHO cells after 90 mins by fluorescence assay				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
Wroclaw University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output